Geometry & MOs

Info

ID:	360503
PubChem CID:	127301148
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	3.49
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCN(C1=O)C2=CC=CC=C2)C(=O)C3CSC4(N3C(=O)CC4)C

DOS

IR

Vibrations